smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCONC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000159596242 345445203 /nfs/dbraw/zinc/44/52/03/345445203.db2.gz WHBJFNJSKQSNRR-QWRGUYRKSA-N 0 0 211.305 2.271 10 70 BEIERN CCOCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160909416 349337615 /nfs/dbraw/zinc/33/76/15/349337615.db2.gz ZSWHSWCXZOODOZ-CHWSQXEVSA-N 0 0 239.359 2.356 10 70 BEIERN CCOCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000160909799 349337735 /nfs/dbraw/zinc/33/77/35/349337735.db2.gz ZSWHSWCXZOODOZ-STQMWFEESA-N 0 0 239.359 2.356 10 70 BEIERN CC(C)CS(=O)(=O)Cc1nccn1C(C)C ZINC000161218470 349400769 /nfs/dbraw/zinc/40/07/69/349400769.db2.gz LYDCKIYWCJBNNW-UHFFFAOYSA-N 0 0 244.360 2.035 10 70 BEIERN C[C@@]1(CC(F)(F)F)COC(=O)N1Cl ZINC000217017655 350030377 /nfs/dbraw/zinc/03/03/77/350030377.db2.gz PSYSQJKZFDVBAS-RXMQYKEDSA-N 0 0 217.574 2.304 10 70 BEIERN O=C(Cc1cncs1)c1cncs1 ZINC000159695406 350974900 /nfs/dbraw/zinc/97/49/00/350974900.db2.gz ZJKXWNCDABTNAO-UHFFFAOYSA-N 0 0 210.283 2.025 10 70 BEIERN COc1cccnc1NCC(F)(F)F ZINC000160197108 353518050 /nfs/dbraw/zinc/51/80/50/353518050.db2.gz GBFPKPASAULDHN-UHFFFAOYSA-N 0 0 206.167 2.064 10 70 BEIERN Cc1nn(C)c(C)c1C(=O)c1ccsc1 ZINC000160482488 357000872 /nfs/dbraw/zinc/00/08/72/357000872.db2.gz WYOIIJWRASZMBH-UHFFFAOYSA-N 0 0 220.297 2.329 10 70 BEIERN COc1ccc([Si](C)(C)[SiH](C)C)cc1 ZINC000584613494 358277420 /nfs/dbraw/zinc/27/74/20/358277420.db2.gz MXYVEDUSUAAYDQ-UHFFFAOYSA-N 0 0 224.452 2.176 10 70 BEIERN C[SiH](C)c1ccccc1Br ZINC000584608041 358268292 /nfs/dbraw/zinc/26/82/92/358268292.db2.gz KOSBLTLSXQZTBI-UHFFFAOYSA-N 0 0 215.166 2.143 10 70 BEIERN CC(C)[C@H](O)CC(=O)Nc1ccsc1 ZINC000160346255 384403745 /nfs/dbraw/zinc/40/37/45/384403745.db2.gz LDUVZYWCQFAIRC-SECBINFHSA-N 0 0 213.302 2.094 10 70 BEIERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCO2)o1 ZINC000161172728 384471090 /nfs/dbraw/zinc/47/10/90/384471090.db2.gz ZQTMELSZOIESLQ-JQWIXIFHSA-N 0 0 237.299 2.334 10 70 BEIERN CC[C@H](CSC)Nc1nncs1 ZINC000217376778 388569475 /nfs/dbraw/zinc/56/94/75/388569475.db2.gz LSTMMOBLLXWKGK-ZCFIWIBFSA-N 0 0 203.336 2.092 10 70 BEIERN OC1(C2CC2)CN(C/C=C\c2ccccc2)C1 ZINC000216964432 134186669 /nfs/dbraw/zinc/18/66/69/134186669.db2.gz MAXXBQKACRJRIN-DAXSKMNVSA-N 0 0 229.323 2.157 10 70 BEIERN CC[C@H]1C[C@H]1Nc1ccc(C(=O)OC)c(C)n1 ZINC000218019974 134250878 /nfs/dbraw/zinc/25/08/78/134250878.db2.gz QSSHABMZEXWQIY-GXSJLCMTSA-N 0 0 234.299 2.387 10 70 BEIERN CC[C@H](C)CN(CC)C(=O)[C@H]1CC[C@H](C)O1 ZINC000159663400 134783002 /nfs/dbraw/zinc/78/30/02/134783002.db2.gz SXUWZOXEKZPUGL-SDDRHHMPSA-N 0 0 227.348 2.449 10 70 BEIERN CC[C@@]1(C)CNc2ccccc2C(=O)N1 ZINC000216637387 171205423 /nfs/dbraw/zinc/20/54/23/171205423.db2.gz OYIWZNSNGTYLPD-LBPRGKRZSA-N 0 0 204.273 2.011 10 70 BEIERN CCC(CC)NC(=O)N1CCCC[C@H]1CCO ZINC000217305021 535061633 /nfs/dbraw/zinc/06/16/33/535061633.db2.gz FOYKSHUAEGFOET-LBPRGKRZSA-N 0 0 242.363 2.122 10 70 BEIERN CC[C@@H]1C[C@H]1Nc1ccccc1S(C)(=O)=O ZINC000217485406 535922390 /nfs/dbraw/zinc/92/23/90/535922390.db2.gz CFGXLRGHHHSRPN-MWLCHTKSSA-N 0 0 239.340 2.301 10 70 BEIERN CCN(/C=C/S(=O)(=O)c1ccccc1)CC ZINC000217468216 343278689 /nfs/dbraw/zinc/27/86/89/343278689.db2.gz KBMFQNXIPHPFNK-ZHACJKMWSA-N 0 0 239.340 2.273 10 70 BEIERN CCC[C@@H](NC(=O)C1CC1)C(=O)OC(C)(C)C ZINC000161296563 349418079 /nfs/dbraw/zinc/41/80/79/349418079.db2.gz BKRPWYICVWMBOU-SNVBAGLBSA-N 0 0 241.331 2.023 10 70 BEIERN CCCCN(CC)C(=O)[C@@H](CCC)[NH+](C)C ZINC000161198378 323320956 /nfs/dbraw/zinc/32/09/56/323320956.db2.gz MZWHYSAYNOJOLO-GFCCVEGCSA-N 0 0 228.380 2.365 10 70 BEIERN Cc1ccc(C(=O)c2csnn2)c(C)c1 ZINC000159848096 351013150 /nfs/dbraw/zinc/01/31/50/351013150.db2.gz SARISMXLCQTMSZ-UHFFFAOYSA-N 0 0 218.281 2.386 10 70 BEIERN CCOc1cc2sc(N)nc2cc1F ZINC000159846398 351013223 /nfs/dbraw/zinc/01/32/23/351013223.db2.gz CMOLOHUBSDFVMU-UHFFFAOYSA-N 0 0 212.249 2.416 10 70 BEIERN CC(C)[C@H](C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161364359 323506685 /nfs/dbraw/zinc/50/66/85/323506685.db2.gz YMCFLDZYAPWIKI-WDEREUQCSA-N 0 0 242.363 2.288 10 70 BEIERN CCC1(NC(=O)[C@@H]2CC[C@H](C)O2)CCC1 ZINC000159439868 535306553 /nfs/dbraw/zinc/30/65/53/535306553.db2.gz MVRLKSAPBCSMPU-UWVGGRQHSA-N 0 0 211.305 2.003 10 70 BEIERN CC1(C)CC(NC(N)=S)CC(C)(C)C1 ZINC000160456156 356981657 /nfs/dbraw/zinc/98/16/57/356981657.db2.gz JETVOBCIFQJSHP-UHFFFAOYSA-N 0 0 214.378 2.425 10 70 BEIERN Cc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1O ZINC000159876624 538879964 /nfs/dbraw/zinc/87/99/64/538879964.db2.gz JWXXKTISGQUAJJ-ONGXEEELSA-N 0 0 235.283 2.207 10 70 BEIERN CC[C@@H]1C[C@@H]1Nc1ccccc1S(C)(=O)=O ZINC000217485232 134246794 /nfs/dbraw/zinc/24/67/94/134246794.db2.gz CFGXLRGHHHSRPN-KOLCDFICSA-N 0 0 239.340 2.301 10 70 BEIERN O=C(N[C@H]1CCCc2ccccc21)C(F)F ZINC000217630337 182335223 /nfs/dbraw/zinc/33/52/23/182335223.db2.gz MUSRSWSLECQLNM-JTQLQIEISA-N 0 0 225.238 2.445 10 70 BEIERN CC[C@H](NC(=O)c1ccc(O)cc1O)C(C)C ZINC000218761745 385906931 /nfs/dbraw/zinc/90/69/31/385906931.db2.gz HDBSYLDMIBLGPS-NSHDSACASA-N 0 0 237.299 2.262 10 70 BEIERN CC(=O)c1ccc(N2CCS[C@@H](C)C2)nc1 ZINC000161416115 132232456 /nfs/dbraw/zinc/23/24/56/132232456.db2.gz NVUDPJWJWJVIGX-VIFPVBQESA-N 0 0 236.340 2.226 10 70 BEIERN CCc1ncnc(NCC[C@H]2CCCO2)c1F ZINC000217964352 134250900 /nfs/dbraw/zinc/25/09/00/134250900.db2.gz ZOSOIYWDBOBMJB-SECBINFHSA-N 0 0 239.294 2.159 10 70 BEIERN CON(C)C(=O)[C@H]1C[C@H]1c1ccc(C)cc1 ZINC000218115119 592152392 /nfs/dbraw/zinc/15/23/92/592152392.db2.gz PCMLGRABODVIGO-RYUDHWBXSA-N 0 0 219.284 2.118 10 70 BEIERN CCONC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159596015 345445258 /nfs/dbraw/zinc/44/52/58/345445258.db2.gz WHBJFNJSKQSNRR-MNOVXSKESA-N 0 0 211.305 2.271 10 70 BEIERN C[C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2O)O1 ZINC000159874053 345579704 /nfs/dbraw/zinc/57/97/04/345579704.db2.gz WKLMNMQXZFUHSE-RDDDGLTNSA-N 0 0 239.246 2.037 10 70 BEIERN Cc1ncsc1C(=O)Cc1ccncc1 ZINC000160890939 358990738 /nfs/dbraw/zinc/99/07/38/358990738.db2.gz IRNARNPLLQGJPV-UHFFFAOYSA-N 0 0 218.281 2.272 10 70 BEIERN Cc1ccc(C(=O)c2csnn2)s1 ZINC000160946550 359506519 /nfs/dbraw/zinc/50/65/19/359506519.db2.gz GEGYPCRIRKGBHU-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN Cc1ccsc1C(=O)c1cnsn1 ZINC000161289647 363919351 /nfs/dbraw/zinc/91/93/51/363919351.db2.gz JBCWPEQZJCQLGD-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN Cc1ccsc1C(=O)c1csnn1 ZINC000161293839 363987234 /nfs/dbraw/zinc/98/72/34/363987234.db2.gz KJZUOJGULHOZHU-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN C[C@]1(CC(F)(F)F)COC(=O)N1Cl ZINC000217017616 384781491 /nfs/dbraw/zinc/78/14/91/384781491.db2.gz PSYSQJKZFDVBAS-YFKPBYRVSA-N 0 0 217.574 2.304 10 70 BEIERN CCCC(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000161355494 411294202 /nfs/dbraw/zinc/29/42/02/411294202.db2.gz UJDXNTWOKKRSET-SNVBAGLBSA-N 0 0 243.347 2.413 10 70 BEIERN C[C@H]1CC[C@H](C(=O)Nc2cc(F)ccc2O)O1 ZINC000159874182 323051506 /nfs/dbraw/zinc/05/15/06/323051506.db2.gz WKLMNMQXZFUHSE-WRWORJQWSA-N 0 0 239.246 2.037 10 70 BEIERN COc1cccnc1NCC[C@@H]1CCCO1 ZINC000160214611 323064236 /nfs/dbraw/zinc/06/42/36/323064236.db2.gz BLZSFHSGASGPFK-JTQLQIEISA-N 0 0 222.288 2.071 10 70 BEIERN CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@@H]2C)C1 ZINC000218534249 592161507 /nfs/dbraw/zinc/16/15/07/592161507.db2.gz JGDMPJNHBYREKY-ZRUFSTJUSA-N 0 0 212.289 2.143 10 70 BEIERN CCC[C@@H](NC(=O)C(C)C)C(=O)OC(C)(C)C ZINC000161466394 349455758 /nfs/dbraw/zinc/45/57/58/349455758.db2.gz NFSHIDIJIPHQPH-SNVBAGLBSA-N 0 0 243.347 2.269 10 70 BEIERN O=C(Cc1ccsc1)c1cnsn1 ZINC000159465653 350541973 /nfs/dbraw/zinc/54/19/73/350541973.db2.gz CSMBQWHYRJWJHG-UHFFFAOYSA-N 0 0 210.283 2.025 10 70 BEIERN CC(C)c1nnsc1C(=O)c1ccoc1 ZINC000159970395 351147265 /nfs/dbraw/zinc/14/72/65/351147265.db2.gz SVYVGYRXMQBVLV-UHFFFAOYSA-N 0 0 222.269 2.486 10 70 BEIERN CCn1ccc2c1cc(C(=O)OC)cc2O ZINC000218342254 351597511 /nfs/dbraw/zinc/59/75/11/351597511.db2.gz GJLRBXBEKOUSJB-UHFFFAOYSA-N 0 0 219.240 2.153 10 70 BEIERN O=S(=O)(F)CCc1ccccc1Cl ZINC000258996586 538806291 /nfs/dbraw/zinc/80/62/91/538806291.db2.gz WLPIAZDELFOFBZ-UHFFFAOYSA-N 0 0 222.668 2.182 10 70 BEIERN COc1ccc(C(=O)C(F)F)c(F)c1 ZINC000217659046 387156268 /nfs/dbraw/zinc/15/62/68/387156268.db2.gz AZCCLZJGFHKVLA-UHFFFAOYSA-N 0 0 204.147 2.282 10 70 BEIERN CCc1ncnc(N[C@H](C)[C@H]2CCCO2)c1F ZINC000217966931 172033339 /nfs/dbraw/zinc/03/33/39/172033339.db2.gz NJMQGLLEUHRTTD-PSASIEDQSA-N 0 0 239.294 2.158 10 70 BEIERN C[C@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2O)O1 ZINC000159874420 323051543 /nfs/dbraw/zinc/05/15/43/323051543.db2.gz WKLMNMQXZFUHSE-CPCISQLKSA-N 0 0 239.246 2.037 10 70 BEIERN CC(C)[C@@H](C)NC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161364470 323507040 /nfs/dbraw/zinc/50/70/40/323507040.db2.gz YMCFLDZYAPWIKI-MNOVXSKESA-N 0 0 242.363 2.288 10 70 BEIERN CC[C@@H]1C[C@H]1Nc1ccc(C(=O)OC)c(C)n1 ZINC000218019913 535922142 /nfs/dbraw/zinc/92/21/42/535922142.db2.gz QSSHABMZEXWQIY-MWLCHTKSSA-N 0 0 234.299 2.387 10 70 BEIERN C[C@H](CO)SC[C@@H]1Cc2ccccc2O1 ZINC000160861468 343137227 /nfs/dbraw/zinc/13/72/27/343137227.db2.gz ORRRZLQXXBQEDV-KOLCDFICSA-N 0 0 224.325 2.104 10 70 BEIERN CCC[C@H](NC(=O)C(C)C)C(=O)OC(C)(C)C ZINC000161466273 133514354 /nfs/dbraw/zinc/51/43/54/133514354.db2.gz NFSHIDIJIPHQPH-JTQLQIEISA-N 0 0 243.347 2.269 10 70 BEIERN COC(=O)c1cc(F)c2[nH]ccc2c1F ZINC000217526776 344199472 /nfs/dbraw/zinc/19/94/72/344199472.db2.gz IYVZOLLRWMIINF-UHFFFAOYSA-N 0 0 211.167 2.233 10 70 BEIERN O=C1N[C@H](c2ccccc2)C2(CCOCC2)O1 ZINC000218470892 345852521 /nfs/dbraw/zinc/85/25/21/345852521.db2.gz BQFZXBFMRXHADS-LLVKDONJSA-N 0 0 233.267 2.017 10 70 BEIERN COc1c2ccccc2oc1C(N)=S ZINC000159833953 351010384 /nfs/dbraw/zinc/01/03/84/351010384.db2.gz BXFMFPXHKTWONY-UHFFFAOYSA-N 0 0 207.254 2.076 10 70 BEIERN COc1ccc2c(c1)C[C@H]1CCCCN1C2=O ZINC000218424136 352012818 /nfs/dbraw/zinc/01/28/18/352012818.db2.gz HIXJKLFYYZARPE-LLVKDONJSA-N 0 0 231.295 2.246 10 70 BEIERN Fc1cnc(NCC(F)(F)F)c(F)c1 ZINC000160370282 356490367 /nfs/dbraw/zinc/49/03/67/356490367.db2.gz QXIURRNFMOBGGT-UHFFFAOYSA-N 0 0 212.121 2.334 10 70 BEIERN Cc1cc(C(=O)c2cnsn2)cs1 ZINC000160542586 357049610 /nfs/dbraw/zinc/04/96/10/357049610.db2.gz FBEMBLAVEUUSSR-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN Cc1cc(C(=O)c2csnn2)cs1 ZINC000160568586 357072551 /nfs/dbraw/zinc/07/25/51/357072551.db2.gz RVQLMUJDTBPJLO-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN Cc1ccc(C(=O)c2ccnnc2)s1 ZINC000160943953 359506231 /nfs/dbraw/zinc/50/62/31/359506231.db2.gz LZVMOYHHXPBESU-UHFFFAOYSA-N 0 0 204.254 2.078 10 70 BEIERN Cc1nnc(NC2CCSCC2)s1 ZINC000161359853 368139107 /nfs/dbraw/zinc/13/91/07/368139107.db2.gz WUMCPWZEZWJGMI-UHFFFAOYSA-N 0 0 215.347 2.154 10 70 BEIERN COC[C@@H](C)C(=O)OCc1nc(C)sc1C ZINC000161159500 384470009 /nfs/dbraw/zinc/47/00/09/384470009.db2.gz IDPXONDISYRLLL-SSDOTTSWSA-N 0 0 243.328 2.086 10 70 BEIERN CC1(NC(=O)N[C@@H]2COc3ccccc32)CCC1 ZINC000160301698 168058085 /nfs/dbraw/zinc/05/80/85/168058085.db2.gz NNOXFMADFQJYBS-LLVKDONJSA-N 0 0 246.310 2.362 10 70 BEIERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2O)O1 ZINC000159874301 323051458 /nfs/dbraw/zinc/05/14/58/323051458.db2.gz WKLMNMQXZFUHSE-HQJQHLMTSA-N 0 0 239.246 2.037 10 70 BEIERN O=C(/C=C\c1ccccc1F)N1CCCO1 ZINC000216851579 592087071 /nfs/dbraw/zinc/08/70/71/592087071.db2.gz OCDBNGCDCGGSSD-SREVYHEPSA-N 0 0 221.231 2.003 10 70 BEIERN CC(=O)NC(C)(C)CCCc1cccnc1 ZINC000217070171 343249904 /nfs/dbraw/zinc/24/99/04/343249904.db2.gz PXHKVLYJRUOQKR-UHFFFAOYSA-N 0 0 220.316 2.319 10 70 BEIERN C[SiH](C)c1ccc(C(F)(F)F)cc1 ZINC000238511605 343257883 /nfs/dbraw/zinc/25/78/83/343257883.db2.gz IUUUHIGSRRFZKY-UHFFFAOYSA-N 0 0 204.267 2.399 10 70 BEIERN CCn1nc(N2CCCC2)nc1C=C(C)C ZINC000217485311 343278347 /nfs/dbraw/zinc/27/83/47/343278347.db2.gz KUOACXKRRXHLKS-UHFFFAOYSA-N 0 0 220.320 2.321 10 70 BEIERN Cc1c(OC(C)C)ccc2c1C(=O)NCC2 ZINC000217959601 344424537 /nfs/dbraw/zinc/42/45/37/344424537.db2.gz VHOOFWVDWJZMFW-UHFFFAOYSA-N 0 0 219.284 2.068 10 70 BEIERN CC(C)n1nc(-c2cccnc2)cc1N ZINC000217647728 350067159 /nfs/dbraw/zinc/06/71/59/350067159.db2.gz SWOOPLIGZPPGJO-UHFFFAOYSA-N 0 0 202.261 2.108 10 70 BEIERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCOC1 ZINC000159391152 259416011 /nfs/dbraw/zinc/41/60/11/259416011.db2.gz YHJWIMFGZVIDEY-NWDGAFQWSA-N 0 0 248.326 2.144 10 70 BEIERN Cc1ccsc1C(=O)c1snnc1C ZINC000161291116 363925007 /nfs/dbraw/zinc/92/50/07/363925007.db2.gz NJFLMIYSQHBYNC-UHFFFAOYSA-N 0 0 224.310 2.447 10 70 BEIERN CC[C@]1(C)CNc2ccccc2C(=O)N1 ZINC000216637436 385870163 /nfs/dbraw/zinc/87/01/63/385870163.db2.gz OYIWZNSNGTYLPD-GFCCVEGCSA-N 0 0 204.273 2.011 10 70 BEIERN CCC1(NC(=O)[C@@H]2CC[C@@H](C)O2)CCC1 ZINC000159440191 322968862 /nfs/dbraw/zinc/96/88/62/322968862.db2.gz MVRLKSAPBCSMPU-ZJUUUORDSA-N 0 0 211.305 2.003 10 70 BEIERN CCc1ccc(O)c(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000159848926 323050550 /nfs/dbraw/zinc/05/05/50/323050550.db2.gz YPBFTJLNSXSNMU-TVQRCGJNSA-N 0 0 249.310 2.461 10 70 BEIERN CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 ZINC000217537049 343279860 /nfs/dbraw/zinc/27/98/60/343279860.db2.gz IEHMOOSNEHILQI-UHFFFAOYSA-N 0 0 219.219 2.174 10 70 BEIERN CCONC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159595891 345445299 /nfs/dbraw/zinc/44/52/99/345445299.db2.gz WHBJFNJSKQSNRR-GHMZBOCLSA-N 0 0 211.305 2.271 10 70 BEIERN CC[C@H](C)CN(CC)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000159663168 345462581 /nfs/dbraw/zinc/46/25/81/345462581.db2.gz SXUWZOXEKZPUGL-SRVKXCTJSA-N 0 0 227.348 2.449 10 70 BEIERN CCOCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160909549 349337800 /nfs/dbraw/zinc/33/78/00/349337800.db2.gz ZSWHSWCXZOODOZ-OLZOCXBDSA-N 0 0 239.359 2.356 10 70 BEIERN O=C(Cc1cncs1)c1cscn1 ZINC000159695566 350974675 /nfs/dbraw/zinc/97/46/75/350974675.db2.gz NNSVOHBOMOCLPU-UHFFFAOYSA-N 0 0 210.283 2.025 10 70 BEIERN C[C@H](c1cccc(C#N)c1)S(=O)(=O)Cl ZINC000088251074 538572353 /nfs/dbraw/zinc/57/23/53/538572353.db2.gz HDRFKHINRVVAEK-SSDOTTSWSA-N 0 0 229.688 2.188 10 70 BEIERN C[C@H](c1ccc(F)cc1)S(=O)(=O)Cl ZINC000088251507 538572413 /nfs/dbraw/zinc/57/24/13/538572413.db2.gz LMPUOANKUCZRKN-ZCFIWIBFSA-N 0 0 222.668 2.455 10 70 BEIERN c1nsc(NCC2CCSCC2)n1 ZINC000160526811 357035928 /nfs/dbraw/zinc/03/59/28/357035928.db2.gz LCFIHKVTVATWLM-UHFFFAOYSA-N 0 0 215.347 2.093 10 70 BEIERN COC[C@@H](C)C(=O)NCCCSCC(C)C ZINC000160809804 358718948 /nfs/dbraw/zinc/71/89/48/358718948.db2.gz WJDTWGOVJZXPQW-LLVKDONJSA-N 0 0 247.404 2.164 10 70 BEIERN COC(C)(C)C(=O)Nc1cccc(F)c1C ZINC000217734797 385890469 /nfs/dbraw/zinc/89/04/69/385890469.db2.gz RCKJCEJEHVGNRD-UHFFFAOYSA-N 0 0 225.263 2.498 10 70 BEIERN Cc1nn(C)cc1Nc1ncnc2c1CCCC2 ZINC000217807562 134250501 /nfs/dbraw/zinc/25/05/01/134250501.db2.gz KAJFINBRPIJRKB-UHFFFAOYSA-N 0 0 243.314 2.141 10 70 BEIERN CCc1ncnc(N[C@@H](C)c2cn[nH]c2)c1F ZINC000218085401 172032785 /nfs/dbraw/zinc/03/27/85/172032785.db2.gz SSSBFLSGOXLSAS-ZETCQYMHSA-N 0 0 235.266 2.074 10 70 BEIERN CCc1ncnc(N[C@H](C)c2cn[nH]c2)c1F ZINC000218085485 172033284 /nfs/dbraw/zinc/03/32/84/172033284.db2.gz SSSBFLSGOXLSAS-SSDOTTSWSA-N 0 0 235.266 2.074 10 70 BEIERN CC[C@H]1C[C@@H]1Nc1ccccc1S(C)(=O)=O ZINC000217485316 536172116 /nfs/dbraw/zinc/17/21/16/536172116.db2.gz CFGXLRGHHHSRPN-ONGXEEELSA-N 0 0 239.340 2.301 10 70 BEIERN O=C1N[C@@H](c2ccccc2)C2(CCOCC2)O1 ZINC000218470948 344239301 /nfs/dbraw/zinc/23/93/01/344239301.db2.gz BQFZXBFMRXHADS-NSHDSACASA-N 0 0 233.267 2.017 10 70 BEIERN COC(=O)c1ccc(C(OC)OC)cc1C ZINC000218614390 344241129 /nfs/dbraw/zinc/24/11/29/344241129.db2.gz LBEHQCASUCFWIJ-UHFFFAOYSA-N 0 0 224.256 2.073 10 70 BEIERN CCc1ncnc(NCC[C@@H]2CCCO2)c1F ZINC000217964269 134251024 /nfs/dbraw/zinc/25/10/24/134251024.db2.gz ZOSOIYWDBOBMJB-VIFPVBQESA-N 0 0 239.294 2.159 10 70 BEIERN CCc1ncnc(NCc2cscn2)c1F ZINC000217998700 134251120 /nfs/dbraw/zinc/25/11/20/134251120.db2.gz UBLBRBURLSSYKN-UHFFFAOYSA-N 0 0 238.291 2.247 10 70 BEIERN CCc1ncnc(N[C@@H](C)[C@@H]2CCCO2)c1F ZINC000217966700 172032810 /nfs/dbraw/zinc/03/28/10/172032810.db2.gz NJMQGLLEUHRTTD-WPRPVWTQSA-N 0 0 239.294 2.158 10 70 BEIERN COc1ccccc1[C@@H](C)NC(=O)C(F)F ZINC000217610854 175345412 /nfs/dbraw/zinc/34/54/12/175345412.db2.gz OKZNYOZCQDVGGI-SSDOTTSWSA-N 0 0 229.226 2.138 10 70 BEIERN COc1ccccc1[C@H](C)NC(=O)C(F)F ZINC000217610941 175351022 /nfs/dbraw/zinc/35/10/22/175351022.db2.gz OKZNYOZCQDVGGI-ZETCQYMHSA-N 0 0 229.226 2.138 10 70 BEIERN Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000159654315 323042591 /nfs/dbraw/zinc/04/25/91/323042591.db2.gz XYOSJBNWABWBCC-SKDRFNHKSA-N 0 0 235.283 2.207 10 70 BEIERN Cc1cccc(S(=O)(=O)F)c1Cl ZINC000105319041 538920745 /nfs/dbraw/zinc/92/07/45/538920745.db2.gz SMDVXIHWBZHFLR-UHFFFAOYSA-N 0 0 208.641 2.307 10 70 BEIERN CCOC(=O)c1cnn(C)c1-c1ccc(F)cc1 ZINC000217814575 344293706 /nfs/dbraw/zinc/29/37/06/344293706.db2.gz RLWQYIUETIJKDB-UHFFFAOYSA-N 0 0 248.257 2.403 10 70 BEIERN CCc1ccc(O)c(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000159848790 345565623 /nfs/dbraw/zinc/56/56/23/345565623.db2.gz YPBFTJLNSXSNMU-ZANVPECISA-N 0 0 249.310 2.461 10 70 BEIERN Cc1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1O ZINC000159876766 537984326 /nfs/dbraw/zinc/98/43/26/537984326.db2.gz JWXXKTISGQUAJJ-GXSJLCMTSA-N 0 0 235.283 2.207 10 70 BEIERN c1[nH]nc2cc3c(cc12)CC1(CCC3)OCCO1 ZINC000217863773 350075346 /nfs/dbraw/zinc/07/53/46/350075346.db2.gz MQOYLEPDEZACKF-UHFFFAOYSA-N 0 0 244.294 2.185 10 70 BEIERN CC(=O)c1ccn(Cc2cncs2)c1 ZINC000159653387 350962752 /nfs/dbraw/zinc/96/27/52/350962752.db2.gz PRYCCYVUKVTATQ-UHFFFAOYSA-N 0 0 206.270 2.196 10 70 BEIERN C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cl ZINC000088251506 538571969 /nfs/dbraw/zinc/57/19/69/538571969.db2.gz LMPUOANKUCZRKN-LURJTMIESA-N 0 0 222.668 2.455 10 70 BEIERN Cc1cc(C(=O)c2csc(C)c2)n(C)n1 ZINC000160554260 357061268 /nfs/dbraw/zinc/06/12/68/357061268.db2.gz RTKLUTDUHCVHMM-UHFFFAOYSA-N 0 0 220.297 2.329 10 70 BEIERN CCOC[C@@H](C)Nc1ncnc(CC)c1F ZINC000217989559 134251037 /nfs/dbraw/zinc/25/10/37/134251037.db2.gz RQTQPUHPZLRJFJ-MRVPVSSYSA-N 0 0 227.283 2.015 10 70 BEIERN C[C@@H](CO)SC[C@H]1Cc2ccccc2O1 ZINC000160861579 361330729 /nfs/dbraw/zinc/33/07/29/361330729.db2.gz ORRRZLQXXBQEDV-GXSJLCMTSA-N 0 0 224.325 2.104 10 70 BEIERN CC(C)[C@@H](O)CC(=O)Nc1ccsc1 ZINC000160346396 384402912 /nfs/dbraw/zinc/40/29/12/384402912.db2.gz LDUVZYWCQFAIRC-VIFPVBQESA-N 0 0 213.302 2.094 10 70 BEIERN CC[C@@H](CSC)Nc1nncs1 ZINC000217376701 388570262 /nfs/dbraw/zinc/57/02/62/388570262.db2.gz LSTMMOBLLXWKGK-LURJTMIESA-N 0 0 203.336 2.092 10 70 BEIERN CC[C@@H]1C[C@@H]1Nc1ccc(C(=O)OC)c(C)n1 ZINC000218019746 134250931 /nfs/dbraw/zinc/25/09/31/134250931.db2.gz QSSHABMZEXWQIY-KOLCDFICSA-N 0 0 234.299 2.387 10 70 BEIERN Cc1ccc(O)c(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000159654188 323042542 /nfs/dbraw/zinc/04/25/42/323042542.db2.gz XYOSJBNWABWBCC-JOYOIKCWSA-N 0 0 235.283 2.207 10 70 BEIERN CC(Cl)(Cl)C(=O)OCC(F)(F)F ZINC000218781080 592179132 /nfs/dbraw/zinc/17/91/32/592179132.db2.gz TUWKCUZXOUPDHJ-UHFFFAOYSA-N 0 0 224.993 2.286 10 70 BEIERN C[C@@H](N[S@@](=O)C(C)(C)C)C1CCC1 ZINC000218029257 344434094 /nfs/dbraw/zinc/43/40/94/344434094.db2.gz WZZOKLRAFDPKGH-OQPBUACISA-N 0 0 203.351 2.227 10 70 BEIERN CCC(CC)NC(=O)N1CCCC[C@@H]1CCO ZINC000217305020 535061560 /nfs/dbraw/zinc/06/15/60/535061560.db2.gz FOYKSHUAEGFOET-GFCCVEGCSA-N 0 0 242.363 2.122 10 70 BEIERN CCn1ccnc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000160849097 349330546 /nfs/dbraw/zinc/33/05/46/349330546.db2.gz HSDVINUQXSHNDF-QWHCGFSZSA-N 0 0 249.358 2.046 10 70 BEIERN CCCCN(CC)C(=O)[C@H](CCC)[NH+](C)C ZINC000161198516 323320933 /nfs/dbraw/zinc/32/09/33/323320933.db2.gz MZWHYSAYNOJOLO-LBPRGKRZSA-N 0 0 228.380 2.365 10 70 BEIERN Cc1ccc(C(=O)c2cnsn2)cc1C ZINC000159622546 350955430 /nfs/dbraw/zinc/95/54/30/350955430.db2.gz QZUCHODEZSKWLZ-UHFFFAOYSA-N 0 0 218.281 2.386 10 70 BEIERN Cc1cc(C(=O)CC2CCC2)c(C)nn1 ZINC000160306297 355870813 /nfs/dbraw/zinc/87/08/13/355870813.db2.gz QKXJJFGLQFIORB-UHFFFAOYSA-N 0 0 204.273 2.466 10 70 BEIERN C[C@H](c1ccc(C#N)cc1)S(=O)(=O)Cl ZINC000088251391 538572443 /nfs/dbraw/zinc/57/24/43/538572443.db2.gz JUFHUBYEIFGCRG-SSDOTTSWSA-N 0 0 229.688 2.188 10 70 BEIERN CCC1(O)CN(C/C=C\c2ccccc2)C1 ZINC000216953867 134183271 /nfs/dbraw/zinc/18/32/71/134183271.db2.gz MASLECCUOKMNGJ-TWGQIWQCSA-N 0 0 217.312 2.157 10 70 BEIERN CC1(NC(=O)N[C@H]2COc3ccccc32)CCC1 ZINC000160301832 168058031 /nfs/dbraw/zinc/05/80/31/168058031.db2.gz NNOXFMADFQJYBS-NSHDSACASA-N 0 0 246.310 2.362 10 70 BEIERN CCc1ncnc(N[C@@H](C)[C@H]2CCCO2)c1F ZINC000217966859 172033395 /nfs/dbraw/zinc/03/33/95/172033395.db2.gz NJMQGLLEUHRTTD-WCBMZHEXSA-N 0 0 239.294 2.158 10 70 BEIERN CCc1ncnc(N[C@H](C)[C@@H]2CCCO2)c1F ZINC000217966782 172033424 /nfs/dbraw/zinc/03/34/24/172033424.db2.gz NJMQGLLEUHRTTD-SCZZXKLOSA-N 0 0 239.294 2.158 10 70 BEIERN CC(C)[C@@H](C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161364234 323075933 /nfs/dbraw/zinc/07/59/33/323075933.db2.gz YMCFLDZYAPWIKI-GHMZBOCLSA-N 0 0 242.363 2.288 10 70 BEIERN CC[C@H]1C[C@@H]1Nc1ccc(C(=O)OC)c(C)n1 ZINC000218019841 536172458 /nfs/dbraw/zinc/17/24/58/536172458.db2.gz QSSHABMZEXWQIY-ONGXEEELSA-N 0 0 234.299 2.387 10 70 BEIERN CON(C)C(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 ZINC000218115281 592152209 /nfs/dbraw/zinc/15/22/09/592152209.db2.gz PCMLGRABODVIGO-VXGBXAGGSA-N 0 0 219.284 2.118 10 70 BEIERN COC(=O)c1cc(OC)c2[nH]ccc2c1C ZINC000217496146 343279169 /nfs/dbraw/zinc/27/91/69/343279169.db2.gz JNTHICHRXLHNPY-UHFFFAOYSA-N 0 0 219.240 2.272 10 70 BEIERN Cc1cc(C(=O)c2cnns2)cs1 ZINC000160545647 346457363 /nfs/dbraw/zinc/45/73/63/346457363.db2.gz IKXAJJZOMZGYQB-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN Cc1ccncc1-c1ccnc2c(N)noc21 ZINC000218498681 350094967 /nfs/dbraw/zinc/09/49/67/350094967.db2.gz CKVCFTHYXMUJJD-UHFFFAOYSA-N 0 0 226.239 2.175 10 70 BEIERN NC(=S)c1cccn1Cc1ccccc1 ZINC000160094623 353135840 /nfs/dbraw/zinc/13/58/40/353135840.db2.gz LNNFNELRRAYVEI-UHFFFAOYSA-N 0 0 216.309 2.171 10 70 BEIERN O=C(CC1CCSCC1)c1cnccn1 ZINC000160169710 353371185 /nfs/dbraw/zinc/37/11/85/353371185.db2.gz WWKCGKATYQZBGE-UHFFFAOYSA-N 0 0 222.313 2.193 10 70 BEIERN CSCCNc1ncc(F)cc1F ZINC000160373876 356660673 /nfs/dbraw/zinc/66/06/73/356660673.db2.gz QTPSIHYIYRRFEE-UHFFFAOYSA-N 0 0 204.245 2.135 10 70 BEIERN Cc1nnsc1C(=O)c1ccsc1 ZINC000160474877 356989413 /nfs/dbraw/zinc/98/94/13/356989413.db2.gz ARTGVWXSIQKVMC-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN C[C@H](CO)SC[C@H]1Cc2ccccc2O1 ZINC000160861686 361331696 /nfs/dbraw/zinc/33/16/96/361331696.db2.gz ORRRZLQXXBQEDV-MWLCHTKSSA-N 0 0 224.325 2.104 10 70 BEIERN CCc1ncnc(N[C@H]2C[C@H]2CC)c1F ZINC000218020688 134251198 /nfs/dbraw/zinc/25/11/98/134251198.db2.gz HBIYAMKEBAVAAU-APPZFPTMSA-N 0 0 209.268 2.389 10 70 BEIERN CCONC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159596117 134782703 /nfs/dbraw/zinc/78/27/03/134782703.db2.gz WHBJFNJSKQSNRR-WDEREUQCSA-N 0 0 211.305 2.271 10 70 BEIERN CCCC(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000161355412 411293834 /nfs/dbraw/zinc/29/38/34/411293834.db2.gz UJDXNTWOKKRSET-JTQLQIEISA-N 0 0 243.347 2.413 10 70 BEIERN CCn1ccnc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000160848959 349330729 /nfs/dbraw/zinc/33/07/29/349330729.db2.gz HSDVINUQXSHNDF-STQMWFEESA-N 0 0 249.358 2.046 10 70 BEIERN Cc1cc(F)ccc1-c1nc(N)ns1 ZINC000159945068 351125165 /nfs/dbraw/zinc/12/51/65/351125165.db2.gz WRWDZCLEDMOCAO-UHFFFAOYSA-N 0 0 209.249 2.235 10 70 BEIERN COc1ccc2c(c1)C[C@@H]1CCCCN1C2=O ZINC000218424049 352011945 /nfs/dbraw/zinc/01/19/45/352011945.db2.gz HIXJKLFYYZARPE-NSHDSACASA-N 0 0 231.295 2.246 10 70 BEIERN O=S(=O)(F)CCc1ccc(Cl)cc1 ZINC000258987860 538802267 /nfs/dbraw/zinc/80/22/67/538802267.db2.gz VWKSOOBKMMPYLT-UHFFFAOYSA-N 0 0 222.668 2.182 10 70 BEIERN Cc1cc(F)cc(C(=O)c2cnns2)c1 ZINC000161414317 368379960 /nfs/dbraw/zinc/37/99/60/368379960.db2.gz ODMHQQGYBXEPQU-UHFFFAOYSA-N 0 0 222.244 2.217 10 70 BEIERN COc1ccnc(C)c1OC(F)(F)F ZINC000218378055 372101026 /nfs/dbraw/zinc/10/10/26/372101026.db2.gz FVFKMNLDUQHIGA-UHFFFAOYSA-N 0 0 207.151 2.297 10 70 BEIERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCO2)o1 ZINC000161172605 384469983 /nfs/dbraw/zinc/46/99/83/384469983.db2.gz ZQTMELSZOIESLQ-PWSUYJOCSA-N 0 0 237.299 2.334 10 70 BEIERN COC[C@H](C)C(=O)OCc1nc(C)sc1C ZINC000161159417 384470214 /nfs/dbraw/zinc/47/02/14/384470214.db2.gz IDPXONDISYRLLL-ZETCQYMHSA-N 0 0 243.328 2.086 10 70 BEIERN COC(=O)c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000217022173 385876711 /nfs/dbraw/zinc/87/67/11/385876711.db2.gz MXLQJECZCYQLFU-UHFFFAOYSA-N 0 0 246.188 2.159 10 70 BEIERN CCC[C@H](NC(=O)C1CC1)C(=O)OC(C)(C)C ZINC000161296455 133512705 /nfs/dbraw/zinc/51/27/05/133512705.db2.gz BKRPWYICVWMBOU-JTQLQIEISA-N 0 0 241.331 2.023 10 70 BEIERN CCC[C@H]1C[C@@H]1Nc1nccn2c(C)nnc12 ZINC000218060795 134251371 /nfs/dbraw/zinc/25/13/71/134251371.db2.gz QAZAJICJKYFVCL-UWVGGRQHSA-N 0 0 231.303 2.033 10 70 BEIERN Cc1ccc(O)c(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000159654453 134784265 /nfs/dbraw/zinc/78/42/65/134784265.db2.gz XYOSJBNWABWBCC-BXKDBHETSA-N 0 0 235.283 2.207 10 70 BEIERN CCc1ccc(O)c(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000159849068 323050512 /nfs/dbraw/zinc/05/05/12/323050512.db2.gz YPBFTJLNSXSNMU-RNCFNFMXSA-N 0 0 249.310 2.461 10 70 BEIERN O=C(NCCCCC1CC1)C(F)(F)F ZINC000217464895 583178725 /nfs/dbraw/zinc/17/87/25/583178725.db2.gz AOSXQHBKPFOYHE-UHFFFAOYSA-N 0 0 209.211 2.245 10 70 BEIERN COc1ccc([C@H](C)NC(=O)C(F)F)cc1F ZINC000218692751 592173614 /nfs/dbraw/zinc/17/36/14/592173614.db2.gz OBZCFLXXNVCLEU-LURJTMIESA-N 0 0 247.216 2.277 10 70 BEIERN Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1O ZINC000159876882 538879983 /nfs/dbraw/zinc/87/99/83/538879983.db2.gz JWXXKTISGQUAJJ-KOLCDFICSA-N 0 0 235.283 2.207 10 70 BEIERN CCOC[C@H](C)Nc1ncnc(CC)c1F ZINC000217989635 134251208 /nfs/dbraw/zinc/25/12/08/134251208.db2.gz RQTQPUHPZLRJFJ-QMMMGPOBSA-N 0 0 227.283 2.015 10 70 BEIERN CCc1ncnc(N[C@H]2C[C@@H]2CC)c1F ZINC000218020525 134250985 /nfs/dbraw/zinc/25/09/85/134250985.db2.gz HBIYAMKEBAVAAU-CBAPKCEASA-N 0 0 209.268 2.389 10 70 BEIERN C[SiH](C)c1ccc(Br)cc1 ZINC000584610345 358273450 /nfs/dbraw/zinc/27/34/50/358273450.db2.gz BHPAUPNVYQKHQR-UHFFFAOYSA-N 0 0 215.166 2.143 10 70 BEIERN CCOC(OCC)c1ccc([SiH](C)C)o1 ZINC000584636745 358321679 /nfs/dbraw/zinc/32/16/79/358321679.db2.gz ZGNQYWSBEOAGAT-UHFFFAOYSA-N 0 0 228.364 2.045 10 70 BEIERN COC[C@H](C)C(=O)NCCCSCC(C)C ZINC000160809667 358721279 /nfs/dbraw/zinc/72/12/79/358721279.db2.gz WJDTWGOVJZXPQW-NSHDSACASA-N 0 0 247.404 2.164 10 70 BEIERN Cc1ccsc1C(=O)c1cnns1 ZINC000161290839 363924971 /nfs/dbraw/zinc/92/49/71/363924971.db2.gz PMNNQMGUKZFGTM-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN CCOC(=O)N[C@@H]1Cc2ccc(C)cc2C1 ZINC000218232730 372084558 /nfs/dbraw/zinc/08/45/58/372084558.db2.gz WDDIIWSMECXXIA-GFCCVEGCSA-N 0 0 219.284 2.208 10 70 BEIERN CCC1(NC(=O)[C@H]2CC[C@H](C)O2)CCC1 ZINC000159440031 384170594 /nfs/dbraw/zinc/17/05/94/384170594.db2.gz MVRLKSAPBCSMPU-VHSXEESVSA-N 0 0 211.305 2.003 10 70 BEIERN C[C@@H](NC(=O)C(F)F)c1ccc(F)c(F)c1 ZINC000217637306 385889407 /nfs/dbraw/zinc/88/94/07/385889407.db2.gz WNCXFALNSBKLGQ-RXMQYKEDSA-N 0 0 235.180 2.407 10 70 BEIERN C[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H](C)O1 ZINC000218187159 134251367 /nfs/dbraw/zinc/25/13/67/134251367.db2.gz TYMVIELQNSYJMH-YUMQZZPRSA-N 0 0 243.690 2.182 10 70 BEIERN CCC[C@H]1C[C@H]1Nc1nccn2c(C)nnc12 ZINC000218060964 134251420 /nfs/dbraw/zinc/25/14/20/134251420.db2.gz QAZAJICJKYFVCL-VHSXEESVSA-N 0 0 231.303 2.033 10 70 BEIERN Nc1c(Cl)cc(S(=O)(=O)F)cc1Cl ZINC000141605127 538953380 /nfs/dbraw/zinc/95/33/80/538953380.db2.gz VIELVJJGPLBPLZ-UHFFFAOYSA-N 0 0 244.074 2.234 10 70 BEIERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCO2)o1 ZINC000161172953 178887112 /nfs/dbraw/zinc/88/71/12/178887112.db2.gz ZQTMELSZOIESLQ-CMPLNLGQSA-N 0 0 237.299 2.334 10 70 BEIERN Cc1ccccc1[C@H](C)NC(=O)C(F)F ZINC000217634709 179336389 /nfs/dbraw/zinc/33/63/89/179336389.db2.gz WPYGFFZCPFFTJK-QMMMGPOBSA-N 0 0 213.227 2.437 10 70 BEIERN CCOCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160909675 349337822 /nfs/dbraw/zinc/33/78/22/349337822.db2.gz ZSWHSWCXZOODOZ-QWHCGFSZSA-N 0 0 239.359 2.356 10 70 BEIERN COC1(C(=O)c2cccs2)CCOCC1 ZINC000159407481 350110896 /nfs/dbraw/zinc/11/08/96/350110896.db2.gz PURIGABIVVHKJK-UHFFFAOYSA-N 0 0 226.297 2.126 10 70 BEIERN O=S(=O)(Cl)Cc1ccc(Cl)o1 ZINC000257363594 538484097 /nfs/dbraw/zinc/48/40/97/538484097.db2.gz ZJKYYRCAPLIVAY-UHFFFAOYSA-N 0 0 215.057 2.002 10 70 BEIERN CCc1ncnc(NCCOCC(C)C)c1F ZINC000217979837 134251033 /nfs/dbraw/zinc/25/10/33/134251033.db2.gz MFILUEGYKBGUFK-UHFFFAOYSA-N 0 0 241.310 2.263 10 70 BEIERN Cc1ccc(C(=O)c2cnns2)s1 ZINC000160942959 359506268 /nfs/dbraw/zinc/50/62/68/359506268.db2.gz RRARRENNJYLUEC-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN Cc1ccc(C(=O)c2cnsn2)s1 ZINC000160942260 387454896 /nfs/dbraw/zinc/45/48/96/387454896.db2.gz LJNKEWPMRSSWBY-UHFFFAOYSA-N 0 0 210.283 2.139 10 70 BEIERN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCOC1 ZINC000159391450 388012080 /nfs/dbraw/zinc/01/20/80/388012080.db2.gz YHJWIMFGZVIDEY-RYUDHWBXSA-N 0 0 248.326 2.144 10 70 BEIERN COCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159725219 134788698 /nfs/dbraw/zinc/78/86/98/134788698.db2.gz UPTUKJYKFKQMTM-UHFFFAOYSA-N 0 0 249.285 2.088 10 70 BEIERN CCC1(NC(=O)[C@H]2CC[C@@H](C)O2)CCC1 ZINC000159440314 322968860 /nfs/dbraw/zinc/96/88/60/322968860.db2.gz MVRLKSAPBCSMPU-NXEZZACHSA-N 0 0 211.305 2.003 10 70 BEIERN CCc1ccc(O)c(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000159849191 323050523 /nfs/dbraw/zinc/05/05/23/323050523.db2.gz YPBFTJLNSXSNMU-NOZJJQNGSA-N 0 0 249.310 2.461 10 70 BEIERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCCO2)o1 ZINC000161172843 178836956 /nfs/dbraw/zinc/83/69/56/178836956.db2.gz ZQTMELSZOIESLQ-ZYHUDNBSSA-N 0 0 237.299 2.334 10 70 BEIERN CC(=O)N[C@@H](C)CSc1ccc(O)cc1 ZINC000218773026 345854306 /nfs/dbraw/zinc/85/43/06/345854306.db2.gz WTTFAZFFUMIJNC-QMMMGPOBSA-N 0 0 225.313 2.009 10 70 BEIERN COc1nnc(C(C)=O)cc1COC(C)(C)C ZINC000217053028 350033630 /nfs/dbraw/zinc/03/36/30/350033630.db2.gz SVGTTWSEGNWZHE-UHFFFAOYSA-N 0 0 238.287 2.003 10 70 BEIERN Oc1cccc(OCc2cncs2)c1 ZINC000159629019 350956337 /nfs/dbraw/zinc/95/63/37/350956337.db2.gz ZEUKWUBIVRKXJV-UHFFFAOYSA-N 0 0 207.254 2.428 10 70 BEIERN CC[C@H]1C[C@H]1Nc1ccccc1S(C)(=O)=O ZINC000217485478 134246956 /nfs/dbraw/zinc/24/69/56/134246956.db2.gz CFGXLRGHHHSRPN-GXSJLCMTSA-N 0 0 239.340 2.301 10 70 BEIERN CCc1ncnc(N[C@@H]2C[C@@H]2CC)c1F ZINC000218020445 134251211 /nfs/dbraw/zinc/25/12/11/134251211.db2.gz HBIYAMKEBAVAAU-IONNQARKSA-N 0 0 209.268 2.389 10 70 BEIERN C[C@H](C(=O)OC(C)(C)C)N1CCS[C@@H](C)C1 ZINC000217729677 134250536 /nfs/dbraw/zinc/25/05/36/134250536.db2.gz GQZRPGWXQZNPTJ-VHSXEESVSA-N 0 0 245.388 2.154 10 70 BEIERN C[C@@H](CO)SC[C@@H]1Cc2ccccc2O1 ZINC000160861386 361331535 /nfs/dbraw/zinc/33/15/35/361331535.db2.gz ORRRZLQXXBQEDV-ONGXEEELSA-N 0 0 224.325 2.104 10 70 BEIERN C[C@H]1C[C@H]1c1cc(NC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC000159677136 201686896 /nfs/dbraw/zinc/68/68/96/201686896.db2.gz KLMIQMQPDMLBBK-YSSBGUOXSA-N 0 0 249.314 2.039 10 70 BEIERN CCOC(=O)N[C@H]1Cc2ccc(C)cc2C1 ZINC000218232792 372084389 /nfs/dbraw/zinc/08/43/89/372084389.db2.gz WDDIIWSMECXXIA-LBPRGKRZSA-N 0 0 219.284 2.208 10 70 BEIERN CC[C@@H](NC(=O)c1ccc(O)cc1O)C(C)C ZINC000218761702 385906490 /nfs/dbraw/zinc/90/64/90/385906490.db2.gz HDBSYLDMIBLGPS-LLVKDONJSA-N 0 0 237.299 2.262 10 70 BEIERN CCC[C@@H]1C[C@@H]1Nc1nccn2c(C)nnc12 ZINC000218060708 134251480 /nfs/dbraw/zinc/25/14/80/134251480.db2.gz QAZAJICJKYFVCL-ZJUUUORDSA-N 0 0 231.303 2.033 10 70 BEIERN Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000159654053 323042554 /nfs/dbraw/zinc/04/25/54/323042554.db2.gz XYOSJBNWABWBCC-CABZTGNLSA-N 0 0 235.283 2.207 10 70 BEIERN CC(C)[C@H](C)NC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161364603 323506848 /nfs/dbraw/zinc/50/68/48/323506848.db2.gz YMCFLDZYAPWIKI-QWRGUYRKSA-N 0 0 242.363 2.288 10 70 BEIERN CON(C)C(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 ZINC000218115199 592152364 /nfs/dbraw/zinc/15/23/64/592152364.db2.gz PCMLGRABODVIGO-NEPJUHHUSA-N 0 0 219.284 2.118 10 70 BEIERN C[C@@H](c1cccc(C#N)c1)S(=O)(=O)Cl ZINC000088251072 538572666 /nfs/dbraw/zinc/57/26/66/538572666.db2.gz HDRFKHINRVVAEK-ZETCQYMHSA-N 0 0 229.688 2.188 10 70 BEIERN C[C@@H](c1ccc(C#N)cc1)S(=O)(=O)Cl ZINC000088251388 538572892 /nfs/dbraw/zinc/57/28/92/538572892.db2.gz JUFHUBYEIFGCRG-ZETCQYMHSA-N 0 0 229.688 2.188 10 70 BEIERN C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H](C)O1 ZINC000218187061 134251454 /nfs/dbraw/zinc/25/14/54/134251454.db2.gz TYMVIELQNSYJMH-HTQZYQBOSA-N 0 0 243.690 2.182 10 70 BEIERN CCOCC(=O)N[C@H](C)c1cccc(C)c1 ZINC000160320776 323064783 /nfs/dbraw/zinc/06/47/83/323064783.db2.gz ZCDIHGKRSXJKMF-LLVKDONJSA-N 0 0 221.300 2.209 10 70 BEIERN Cc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1O ZINC000159876971 488091157 /nfs/dbraw/zinc/09/11/57/488091157.db2.gz JWXXKTISGQUAJJ-MWLCHTKSSA-N 0 0 235.283 2.207 10 70 BEIERN